data_17286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal domain of hRpn13 ; _BMRB_accession_number 17286 _BMRB_flat_file_name bmr17286.str _Entry_type original _Submission_date 2010-11-08 _Accession_date 2010-11-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Zi-ren . . 2 Hu Hong-yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 627 "13C chemical shifts" 536 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-25 original author . stop_ _Original_release_date 2012-07-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal domain of hRpn13' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Zi-ren . . 2 Hu Hong-yu . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hRpn13 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hRpn13 $hRpn13 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hRpn13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15804.739 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GSQPIQLSDLQSILATMNVP AGPAGGQQVDLASVLTPEIM APILANADVQERLLPYLPSG ESLPQTADEIQNTLTSPQFQ QALGMFSAALASGQLGPLMC QFGLPAEAVEAANKGDVEAF AKAMQNNAKPEQKEGDTKDK KDEEEDMSLD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 258 GLY 2 259 SER 3 260 GLN 4 261 PRO 5 262 ILE 6 263 GLN 7 264 LEU 8 265 SER 9 266 ASP 10 267 LEU 11 268 GLN 12 269 SER 13 270 ILE 14 271 LEU 15 272 ALA 16 273 THR 17 274 MET 18 275 ASN 19 276 VAL 20 277 PRO 21 278 ALA 22 279 GLY 23 280 PRO 24 281 ALA 25 282 GLY 26 283 GLY 27 284 GLN 28 285 GLN 29 286 VAL 30 287 ASP 31 288 LEU 32 289 ALA 33 290 SER 34 291 VAL 35 292 LEU 36 293 THR 37 294 PRO 38 295 GLU 39 296 ILE 40 297 MET 41 298 ALA 42 299 PRO 43 300 ILE 44 301 LEU 45 302 ALA 46 303 ASN 47 304 ALA 48 305 ASP 49 306 VAL 50 307 GLN 51 308 GLU 52 309 ARG 53 310 LEU 54 311 LEU 55 312 PRO 56 313 TYR 57 314 LEU 58 315 PRO 59 316 SER 60 317 GLY 61 318 GLU 62 319 SER 63 320 LEU 64 321 PRO 65 322 GLN 66 323 THR 67 324 ALA 68 325 ASP 69 326 GLU 70 327 ILE 71 328 GLN 72 329 ASN 73 330 THR 74 331 LEU 75 332 THR 76 333 SER 77 334 PRO 78 335 GLN 79 336 PHE 80 337 GLN 81 338 GLN 82 339 ALA 83 340 LEU 84 341 GLY 85 342 MET 86 343 PHE 87 344 SER 88 345 ALA 89 346 ALA 90 347 LEU 91 348 ALA 92 349 SER 93 350 GLY 94 351 GLN 95 352 LEU 96 353 GLY 97 354 PRO 98 355 LEU 99 356 MET 100 357 CYS 101 358 GLN 102 359 PHE 103 360 GLY 104 361 LEU 105 362 PRO 106 363 ALA 107 364 GLU 108 365 ALA 109 366 VAL 110 367 GLU 111 368 ALA 112 369 ALA 113 370 ASN 114 371 LYS 115 372 GLY 116 373 ASP 117 374 VAL 118 375 GLU 119 376 ALA 120 377 PHE 121 378 ALA 122 379 LYS 123 380 ALA 124 381 MET 125 382 GLN 126 383 ASN 127 384 ASN 128 385 ALA 129 386 LYS 130 387 PRO 131 388 GLU 132 389 GLN 133 390 LYS 134 391 GLU 135 392 GLY 136 393 ASP 137 394 THR 138 395 LYS 139 396 ASP 140 397 LYS 141 398 LYS 142 399 ASP 143 400 GLU 144 401 GLU 145 402 GLU 146 403 ASP 147 404 MET 148 405 SER 149 406 LEU 150 407 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19801 entity 92.67 141 99.28 100.00 8.15e-92 PDB 2KQZ "Fragment Of Proteasome Protein" 99.33 155 99.33 100.00 2.94e-99 PDB 2KR0 "A Proteasome Protein" 99.33 411 99.33 100.00 1.94e-96 PDB 2L5V "Solution Structure Of The C-Terminal Domain Of Hrpn13" 100.00 150 100.00 100.00 4.19e-100 PDB 2MKZ "Solution Structure Of A Protein C-terminal Domain" 92.67 141 99.28 100.00 8.15e-92 PDB 4UEL "Uch-l5 In Complex With Ubiquitin-propargyl Bound To The Rpn13 Deubad Domain" 82.67 127 100.00 100.00 6.15e-80 PDB 4UEM "Uch-l5 In Complex With The Rpn13 Deubad Domain" 82.67 127 100.00 100.00 6.15e-80 PDB 4WLQ "Crystal Structure Of Much37-hrpn13 Ctd Complex" 66.00 99 100.00 100.00 6.95e-62 PDB 4WLR "Crystal Structure Of Much37-hrpn13 Ctd-hub Complex" 68.00 102 100.00 100.00 6.26e-64 DBJ BAA11023 "Mr 110,000 antigen [Homo sapiens]" 99.33 407 99.33 100.00 1.78e-96 DBJ BAJ20420 "adhesion regulating molecule 1 [synthetic construct]" 99.33 407 99.33 100.00 1.80e-96 EMBL CAH18070 "hypothetical protein [Homo sapiens]" 53.33 315 98.75 100.00 2.04e-44 GB AAH10733 "Unknown (protein for IMAGE:3897044), partial [Homo sapiens]" 99.33 296 99.33 100.00 1.27e-98 GB AAH17245 "Adhesion regulating molecule 1 [Homo sapiens]" 99.33 407 99.33 100.00 1.80e-96 GB AAX42432 "adhesion regulating molecule 1 [synthetic construct]" 99.33 407 99.33 100.00 1.80e-96 GB ABM84246 "adhesion regulating molecule 1 [synthetic construct]" 99.33 407 99.33 100.00 1.80e-96 GB ABM87634 "adhesion regulating molecule 1 [synthetic construct]" 99.33 407 99.33 100.00 1.80e-96 REF NP_001247458 "proteasomal ubiquitin receptor ADRM1 [Macaca mulatta]" 99.33 407 98.66 100.00 9.13e-96 REF NP_001268366 "proteasomal ubiquitin receptor ADRM1 isoform 2 [Homo sapiens]" 99.33 368 99.33 100.00 1.61e-97 REF NP_001268367 "proteasomal ubiquitin receptor ADRM1 isoform 2 [Homo sapiens]" 99.33 368 99.33 100.00 1.61e-97 REF NP_008933 "proteasomal ubiquitin receptor ADRM1 isoform 1 [Homo sapiens]" 99.33 407 99.33 100.00 1.80e-96 REF NP_783163 "proteasomal ubiquitin receptor ADRM1 isoform 1 [Homo sapiens]" 99.33 407 99.33 100.00 1.80e-96 SP Q16186 "RecName: Full=Proteasomal ubiquitin receptor ADRM1; AltName: Full=110 kDa cell membrane glycoprotein; Short=Gp110; AltName: Ful" 99.33 407 99.33 100.00 1.80e-96 TPD FAA00246 "TPA: regulatory particle non-ATPase 13 [Homo sapiens]" 99.33 407 99.33 100.00 1.80e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hRpn13 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $hRpn13 'recombinant technology' . Escherichia coli . pET-MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hRpn13 20 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D CCH-COSY' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D 1H-15N NOESY-HSQC' '3D 1H-13C NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hRpn13 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 259 2 SER HA H 4.517 0.002 1 2 259 2 SER HB2 H 3.856 0.002 2 3 259 2 SER C C 174.153 0.100 1 4 259 2 SER CA C 58.337 0.031 1 5 259 2 SER CB C 63.955 0.024 1 6 260 3 GLN H H 8.485 0.001 1 7 260 3 GLN HA H 4.666 0.001 1 8 260 3 GLN HB2 H 2.097 0.004 2 9 260 3 GLN HB3 H 1.949 0.004 2 10 260 3 GLN C C 173.988 0.100 1 11 260 3 GLN CA C 53.830 0.030 1 12 260 3 GLN CB C 28.996 0.048 1 13 260 3 GLN CG C 33.954 0.100 1 14 260 3 GLN N N 123.088 0.027 1 15 261 4 PRO HA H 4.433 0.017 1 16 261 4 PRO HB2 H 2.286 0.001 2 17 261 4 PRO HB3 H 1.884 0.014 2 18 261 4 PRO HG2 H 2.013 0.001 2 19 261 4 PRO HD2 H 3.808 0.020 2 20 261 4 PRO HD3 H 3.656 0.001 2 21 261 4 PRO C C 176.752 0.012 1 22 261 4 PRO CA C 63.164 0.042 1 23 261 4 PRO CB C 32.104 0.021 1 24 261 4 PRO CG C 27.400 0.049 1 25 261 4 PRO CD C 50.692 0.044 1 26 262 5 ILE H H 8.261 0.001 1 27 262 5 ILE HA H 4.113 0.002 1 28 262 5 ILE HB H 1.817 0.001 1 29 262 5 ILE HG12 H 1.512 0.003 2 30 262 5 ILE HG13 H 1.201 0.003 2 31 262 5 ILE HG2 H 0.896 0.002 1 32 262 5 ILE HD1 H 0.860 0.003 1 33 262 5 ILE C C 176.083 0.022 1 34 262 5 ILE CA C 61.270 0.033 1 35 262 5 ILE CB C 38.862 0.050 1 36 262 5 ILE CG1 C 27.558 0.043 1 37 262 5 ILE CG2 C 17.496 0.033 1 38 262 5 ILE CD1 C 13.024 0.034 1 39 262 5 ILE N N 121.549 0.009 1 40 263 6 GLN H H 8.543 0.001 1 41 263 6 GLN HA H 4.408 0.002 1 42 263 6 GLN HB2 H 2.092 0.020 2 43 263 6 GLN HB3 H 1.972 0.020 2 44 263 6 GLN HG2 H 2.352 0.001 2 45 263 6 GLN C C 175.913 0.006 1 46 263 6 GLN CA C 55.319 0.067 1 47 263 6 GLN CB C 29.623 0.012 1 48 263 6 GLN CG C 33.757 0.016 1 49 263 6 GLN N N 124.813 0.020 1 50 264 7 LEU H H 8.464 0.001 1 51 264 7 LEU HA H 4.322 0.003 1 52 264 7 LEU HB2 H 1.641 0.008 2 53 264 7 LEU HG H 1.639 0.004 1 54 264 7 LEU HD1 H 0.925 0.020 2 55 264 7 LEU HD2 H 0.866 0.002 2 56 264 7 LEU C C 177.770 0.012 1 57 264 7 LEU CA C 55.769 0.048 1 58 264 7 LEU CB C 42.252 0.038 1 59 264 7 LEU CG C 27.021 0.034 1 60 264 7 LEU CD1 C 24.809 0.040 2 61 264 7 LEU CD2 C 23.550 0.045 2 62 264 7 LEU N N 124.693 0.017 1 63 265 8 SER H H 8.350 0.001 1 64 265 8 SER HA H 4.401 0.006 1 65 265 8 SER HB2 H 3.925 0.002 2 66 265 8 SER HB3 H 3.840 0.002 2 67 265 8 SER C C 174.654 0.002 1 68 265 8 SER CA C 58.778 0.053 1 69 265 8 SER CB C 63.807 0.059 1 70 265 8 SER N N 115.439 0.005 1 71 266 9 ASP H H 8.236 0.001 1 72 266 9 ASP HA H 4.612 0.020 1 73 266 9 ASP HB2 H 2.729 0.002 2 74 266 9 ASP C C 176.789 0.100 1 75 266 9 ASP CA C 54.773 0.051 1 76 266 9 ASP CB C 41.094 0.026 1 77 266 9 ASP N N 122.097 0.017 1 78 267 10 LEU H H 8.127 0.001 1 79 267 10 LEU HA H 4.213 0.002 1 80 267 10 LEU HB2 H 1.651 0.003 2 81 267 10 LEU HG H 1.653 0.004 1 82 267 10 LEU HD1 H 0.924 0.002 2 83 267 10 LEU HD2 H 0.876 0.003 2 84 267 10 LEU C C 178.057 0.038 1 85 267 10 LEU CA C 56.433 0.040 1 86 267 10 LEU CB C 42.074 0.037 1 87 267 10 LEU CG C 27.039 0.038 1 88 267 10 LEU CD1 C 24.504 0.119 2 89 267 10 LEU CD2 C 23.693 0.032 2 90 267 10 LEU N N 121.845 0.008 1 91 268 11 GLN H H 8.277 0.001 1 92 268 11 GLN HA H 4.182 0.002 1 93 268 11 GLN HB2 H 2.105 0.003 2 94 268 11 GLN HG2 H 2.401 0.001 2 95 268 11 GLN C C 177.168 0.013 1 96 268 11 GLN CA C 57.315 0.035 1 97 268 11 GLN CB C 28.920 0.028 1 98 268 11 GLN CG C 34.019 0.026 1 99 268 11 GLN N N 118.743 0.012 1 100 269 12 SER H H 8.128 0.001 1 101 269 12 SER HA H 4.373 0.002 1 102 269 12 SER HB2 H 3.910 0.020 2 103 269 12 SER C C 175.441 0.100 1 104 269 12 SER CA C 59.735 0.026 1 105 269 12 SER CB C 63.427 0.015 1 106 269 12 SER N N 115.864 0.004 1 107 270 13 ILE H H 7.951 0.001 1 108 270 13 ILE HA H 4.070 0.001 1 109 270 13 ILE HB H 1.925 0.003 1 110 270 13 ILE HG12 H 1.532 0.002 2 111 270 13 ILE HG13 H 1.190 0.001 2 112 270 13 ILE HG2 H 0.900 0.001 1 113 270 13 ILE HD1 H 0.844 0.005 1 114 270 13 ILE C C 177.203 0.011 1 115 270 13 ILE CA C 62.464 0.046 1 116 270 13 ILE CB C 38.492 0.037 1 117 270 13 ILE CG1 C 27.829 0.028 1 118 270 13 ILE CG2 C 17.473 0.011 1 119 270 13 ILE CD1 C 12.896 0.050 1 120 270 13 ILE N N 122.314 0.005 1 121 271 14 LEU H H 8.162 0.001 1 122 271 14 LEU HA H 4.248 0.002 1 123 271 14 LEU HB2 H 1.573 0.005 2 124 271 14 LEU HG H 1.692 0.002 1 125 271 14 LEU HD1 H 0.926 0.002 2 126 271 14 LEU HD2 H 0.860 0.003 2 127 271 14 LEU C C 177.932 0.020 1 128 271 14 LEU CA C 56.049 0.047 1 129 271 14 LEU CB C 42.000 0.054 1 130 271 14 LEU CG C 26.910 0.043 1 131 271 14 LEU CD1 C 24.951 0.019 2 132 271 14 LEU CD2 C 23.360 0.026 2 133 271 14 LEU N N 123.423 0.018 1 134 272 15 ALA H H 8.059 0.001 1 135 272 15 ALA HA H 4.315 0.001 1 136 272 15 ALA HB H 1.454 0.001 1 137 272 15 ALA C C 178.459 0.016 1 138 272 15 ALA CA C 53.351 0.028 1 139 272 15 ALA CB C 19.050 0.022 1 140 272 15 ALA N N 122.832 0.010 1 141 273 16 THR H H 7.878 0.001 1 142 273 16 THR HA H 4.309 0.003 1 143 273 16 THR HB H 4.264 0.003 1 144 273 16 THR HG2 H 1.233 0.002 1 145 273 16 THR C C 174.807 0.100 1 146 273 16 THR CA C 62.271 0.021 1 147 273 16 THR CB C 69.750 0.030 1 148 273 16 THR CG2 C 21.689 0.028 1 149 273 16 THR N N 111.238 0.006 1 150 274 17 MET H H 8.065 0.003 1 151 274 17 MET HA H 4.469 0.002 1 152 274 17 MET HB2 H 2.125 0.020 2 153 274 17 MET HB3 H 2.008 0.020 2 154 274 17 MET HG2 H 2.610 0.020 2 155 274 17 MET HG3 H 2.537 0.020 2 156 274 17 MET C C 175.617 0.003 1 157 274 17 MET CA C 55.771 0.042 1 158 274 17 MET CB C 33.085 0.089 1 159 274 17 MET CG C 31.879 0.100 1 160 274 17 MET N N 121.516 0.005 1 161 275 18 ASN H H 8.353 0.001 1 162 275 18 ASN HA H 4.719 0.005 1 163 275 18 ASN HB2 H 2.800 0.001 2 164 275 18 ASN HB3 H 2.710 0.001 2 165 275 18 ASN CA C 53.292 0.031 1 166 275 18 ASN CB C 38.994 0.027 1 167 275 18 ASN N N 119.627 0.028 1 168 276 19 VAL H H 8.077 0.002 1 169 276 19 VAL HA H 4.419 0.002 1 170 276 19 VAL HB H 2.078 0.001 1 171 276 19 VAL HG1 H 0.961 0.020 2 172 276 19 VAL HG2 H 0.916 0.001 2 173 276 19 VAL C C 174.372 0.100 1 174 276 19 VAL CA C 59.883 0.027 1 175 276 19 VAL CB C 32.681 0.035 1 176 276 19 VAL CG1 C 21.146 0.018 2 177 276 19 VAL CG2 C 20.387 0.035 2 178 276 19 VAL N N 121.530 0.024 1 179 277 20 PRO HA H 4.395 0.005 1 180 277 20 PRO HB2 H 2.287 0.003 2 181 277 20 PRO HB3 H 1.907 0.004 2 182 277 20 PRO HG2 H 2.283 0.004 2 183 277 20 PRO HD2 H 3.855 0.003 2 184 277 20 PRO HD3 H 3.625 0.001 2 185 277 20 PRO C C 176.498 0.100 1 186 277 20 PRO CA C 63.228 0.037 1 187 277 20 PRO CB C 32.115 0.044 1 188 277 20 PRO CG C 27.517 0.068 1 189 278 21 ALA H H 8.399 0.001 1 190 278 21 ALA HA H 4.335 0.005 1 191 278 21 ALA HB H 1.401 0.003 1 192 278 21 ALA C C 177.927 0.041 1 193 278 21 ALA CA C 52.498 0.057 1 194 278 21 ALA CB C 19.563 0.124 1 195 278 21 ALA N N 124.490 0.012 1 196 279 22 GLY H H 8.194 0.020 1 197 279 22 GLY HA2 H 4.126 0.003 2 198 279 22 GLY HA3 H 4.047 0.001 2 199 279 22 GLY C C 171.940 0.100 1 200 279 22 GLY CA C 44.537 0.048 1 201 279 22 GLY N N 108.158 0.008 1 202 280 23 PRO HA H 4.404 0.001 1 203 280 23 PRO HB2 H 2.274 0.003 2 204 280 23 PRO HB3 H 1.943 0.006 2 205 280 23 PRO C C 177.241 0.003 1 206 280 23 PRO CA C 63.362 0.036 1 207 280 23 PRO CB C 32.141 0.030 1 208 280 23 PRO CG C 27.301 0.045 1 209 281 24 ALA H H 8.505 0.001 1 210 281 24 ALA HA H 4.334 0.003 1 211 281 24 ALA HB H 1.403 0.002 1 212 281 24 ALA C C 178.456 0.009 1 213 281 24 ALA CA C 52.794 0.064 1 214 281 24 ALA CB C 19.103 0.016 1 215 281 24 ALA N N 124.376 0.009 1 216 282 25 GLY H H 8.366 0.001 1 217 282 25 GLY HA2 H 3.967 0.020 2 218 282 25 GLY C C 174.833 0.027 1 219 282 25 GLY CA C 45.371 0.037 1 220 282 25 GLY N N 108.212 0.004 1 221 283 26 GLY H H 8.235 0.001 1 222 283 26 GLY HA2 H 3.965 0.002 2 223 283 26 GLY C C 174.102 0.005 1 224 283 26 GLY CA C 45.254 0.039 1 225 283 26 GLY N N 108.463 0.006 1 226 284 27 GLN H H 8.303 0.001 1 227 284 27 GLN HA H 4.333 0.003 1 228 284 27 GLN HB2 H 2.086 0.001 2 229 284 27 GLN HB3 H 1.970 0.004 2 230 284 27 GLN HG2 H 2.343 0.003 2 231 284 27 GLN C C 175.907 0.003 1 232 284 27 GLN CA C 55.834 0.049 1 233 284 27 GLN CB C 29.567 0.040 1 234 284 27 GLN CG C 33.861 0.013 1 235 284 27 GLN N N 119.708 0.006 1 236 285 28 GLN H H 8.512 0.001 1 237 285 28 GLN HA H 4.372 0.020 1 238 285 28 GLN CA C 55.828 0.046 1 239 285 28 GLN CB C 29.602 0.026 1 240 285 28 GLN CG C 33.786 0.100 1 241 285 28 GLN N N 122.052 0.006 1 242 286 29 VAL H H 8.352 0.001 1 243 286 29 VAL HA H 4.026 0.002 1 244 286 29 VAL HB H 1.973 0.001 1 245 286 29 VAL HG1 H 0.881 0.020 2 246 286 29 VAL HG2 H 0.817 0.020 2 247 286 29 VAL C C 175.177 0.048 1 248 286 29 VAL CA C 62.042 0.060 1 249 286 29 VAL CB C 33.061 0.021 1 250 286 29 VAL CG1 C 21.042 0.027 2 251 286 29 VAL N N 122.192 0.048 1 252 287 30 ASP H H 8.530 0.001 1 253 287 30 ASP HA H 4.698 0.002 1 254 287 30 ASP HB2 H 2.786 0.002 2 255 287 30 ASP HB3 H 2.642 0.002 2 256 287 30 ASP C C 177.474 0.007 1 257 287 30 ASP CA C 53.269 0.043 1 258 287 30 ASP CB C 41.006 0.015 1 259 287 30 ASP N N 125.248 0.026 1 260 288 31 LEU H H 8.776 0.001 1 261 288 31 LEU HA H 4.057 0.002 1 262 288 31 LEU HB2 H 1.764 0.003 2 263 288 31 LEU HB3 H 1.612 0.003 2 264 288 31 LEU HG H 1.767 0.003 1 265 288 31 LEU HD1 H 0.969 0.020 2 266 288 31 LEU HD2 H 0.885 0.001 2 267 288 31 LEU C C 178.362 0.015 1 268 288 31 LEU CA C 57.545 0.044 1 269 288 31 LEU CB C 42.305 0.043 1 270 288 31 LEU CG C 26.823 0.025 1 271 288 31 LEU CD1 C 24.691 0.161 2 272 288 31 LEU CD2 C 23.982 0.120 2 273 288 31 LEU N N 126.469 0.012 1 274 289 32 ALA H H 8.501 0.001 1 275 289 32 ALA HA H 4.174 0.002 1 276 289 32 ALA HB H 1.497 0.001 1 277 289 32 ALA C C 178.160 0.100 1 278 289 32 ALA CA C 54.139 0.027 1 279 289 32 ALA CB C 18.278 0.023 1 280 289 32 ALA N N 120.439 0.025 1 281 290 33 SER H H 7.752 0.001 1 282 290 33 SER HA H 4.323 0.002 1 283 290 33 SER HB2 H 3.955 0.002 2 284 290 33 SER C C 174.374 0.100 1 285 290 33 SER CA C 60.040 0.051 1 286 290 33 SER CB C 63.612 0.014 1 287 290 33 SER N N 111.081 0.010 1 288 291 34 VAL H H 7.308 0.002 1 289 291 34 VAL HA H 4.278 0.003 1 290 291 34 VAL HB H 1.956 0.003 1 291 291 34 VAL HG1 H 0.916 0.020 2 292 291 34 VAL C C 175.231 0.005 1 293 291 34 VAL CA C 62.915 0.049 1 294 291 34 VAL CB C 34.193 0.034 1 295 291 34 VAL CG1 C 21.494 0.041 2 296 291 34 VAL CG2 C 20.541 0.007 2 297 291 34 VAL N N 117.101 0.029 1 298 292 35 LEU H H 8.314 0.002 1 299 292 35 LEU HA H 4.438 0.004 1 300 292 35 LEU HB2 H 1.964 0.003 2 301 292 35 LEU HB3 H 1.328 0.002 2 302 292 35 LEU HG H 1.093 0.004 1 303 292 35 LEU HD1 H 0.889 0.001 2 304 292 35 LEU C C 173.903 0.033 1 305 292 35 LEU CA C 52.853 0.021 1 306 292 35 LEU CB C 39.580 0.039 1 307 292 35 LEU CG C 26.312 0.060 1 308 292 35 LEU CD1 C 22.934 0.016 2 309 292 35 LEU N N 121.690 0.027 1 310 293 36 THR H H 6.611 0.002 1 311 293 36 THR HA H 4.625 0.005 1 312 293 36 THR HB H 4.640 0.020 1 313 293 36 THR HG2 H 1.210 0.020 1 314 293 36 THR C C 174.030 0.100 1 315 293 36 THR CA C 59.440 0.040 1 316 293 36 THR CB C 68.497 0.022 1 317 293 36 THR N N 109.033 0.024 1 318 294 37 PRO HA H 3.703 0.002 1 319 294 37 PRO HB2 H 1.808 0.002 2 320 294 37 PRO HB3 H 1.649 0.001 2 321 294 37 PRO HG2 H 1.748 0.020 2 322 294 37 PRO HD2 H 3.655 0.020 2 323 294 37 PRO HD3 H 3.427 0.020 2 324 294 37 PRO C C 177.609 0.002 1 325 294 37 PRO CA C 66.134 0.029 1 326 294 37 PRO CB C 31.722 0.025 1 327 294 37 PRO CG C 27.063 0.100 1 328 295 38 GLU H H 8.325 0.002 1 329 295 38 GLU HA H 3.847 0.001 1 330 295 38 GLU HB2 H 1.847 0.001 2 331 295 38 GLU HG2 H 2.002 0.001 2 332 295 38 GLU C C 178.668 0.001 1 333 295 38 GLU CA C 59.887 0.044 1 334 295 38 GLU CB C 29.241 0.035 1 335 295 38 GLU CG C 36.720 0.033 1 336 295 38 GLU N N 114.551 0.047 1 337 296 39 ILE H H 7.251 0.001 1 338 296 39 ILE HA H 3.818 0.002 1 339 296 39 ILE HB H 1.794 0.002 1 340 296 39 ILE HG12 H 1.586 0.003 2 341 296 39 ILE HG13 H 1.183 0.002 2 342 296 39 ILE HG2 H 0.792 0.002 1 343 296 39 ILE HD1 H 0.951 0.002 1 344 296 39 ILE C C 177.277 0.005 1 345 296 39 ILE CA C 63.217 0.046 1 346 296 39 ILE CB C 38.735 0.021 1 347 296 39 ILE CG1 C 29.070 0.032 1 348 296 39 ILE CG2 C 16.911 0.021 1 349 296 39 ILE CD1 C 13.247 0.027 1 350 296 39 ILE N N 118.637 0.015 1 351 297 40 MET H H 8.197 0.003 1 352 297 40 MET HA H 4.513 0.002 1 353 297 40 MET HB2 H 2.321 0.020 2 354 297 40 MET HB3 H 1.977 0.020 2 355 297 40 MET C C 178.635 0.003 1 356 297 40 MET CA C 53.859 0.043 1 357 297 40 MET CB C 30.679 0.026 1 358 297 40 MET N N 111.947 0.011 1 359 298 41 ALA H H 8.405 0.003 1 360 298 41 ALA HA H 4.074 0.020 1 361 298 41 ALA HB H 1.580 0.001 1 362 298 41 ALA C C 175.309 0.100 1 363 298 41 ALA CA C 57.920 0.100 1 364 298 41 ALA CB C 15.814 0.024 1 365 298 41 ALA N N 124.467 0.017 1 366 299 42 PRO HA H 4.275 0.002 1 367 299 42 PRO HB2 H 2.422 0.001 2 368 299 42 PRO HB3 H 1.834 0.002 2 369 299 42 PRO HG2 H 2.038 0.020 2 370 299 42 PRO C C 178.080 0.100 1 371 299 42 PRO CA C 65.338 0.030 1 372 299 42 PRO CB C 31.266 0.045 1 373 299 42 PRO CG C 28.212 0.013 1 374 300 43 ILE H H 6.421 0.002 1 375 300 43 ILE HA H 3.102 0.001 1 376 300 43 ILE HB H 1.558 0.001 1 377 300 43 ILE HG12 H 1.211 0.002 2 378 300 43 ILE HG13 H -0.305 0.004 2 379 300 43 ILE HG2 H 0.486 0.002 1 380 300 43 ILE HD1 H 0.719 0.020 1 381 300 43 ILE C C 177.002 0.006 1 382 300 43 ILE CA C 64.074 0.027 1 383 300 43 ILE CB C 38.656 0.045 1 384 300 43 ILE CG1 C 27.577 0.019 1 385 300 43 ILE CG2 C 17.512 0.012 1 386 300 43 ILE N N 116.028 0.017 1 387 301 44 LEU H H 8.117 0.002 1 388 301 44 LEU HA H 3.898 0.002 1 389 301 44 LEU HB2 H 1.658 0.003 2 390 301 44 LEU HB3 H 1.335 0.003 2 391 301 44 LEU HG H 1.550 0.002 1 392 301 44 LEU HD1 H 0.635 0.006 2 393 301 44 LEU HD2 H 0.587 0.001 2 394 301 44 LEU C C 176.886 0.100 1 395 301 44 LEU CA C 56.146 0.031 1 396 301 44 LEU CB C 41.955 0.038 1 397 301 44 LEU CG C 26.835 0.042 1 398 301 44 LEU CD1 C 25.701 0.032 2 399 301 44 LEU CD2 C 22.106 0.030 2 400 301 44 LEU N N 113.935 0.030 1 401 302 45 ALA H H 7.338 0.002 1 402 302 45 ALA HA H 4.008 0.001 1 403 302 45 ALA HB H 1.276 0.002 1 404 302 45 ALA C C 176.645 0.068 1 405 302 45 ALA CA C 52.473 0.085 1 406 302 45 ALA CB C 19.140 0.058 1 407 302 45 ALA N N 115.585 0.020 1 408 303 46 ASN H H 7.202 0.001 1 409 303 46 ASN HA H 4.571 0.002 1 410 303 46 ASN HB2 H 3.170 0.002 2 411 303 46 ASN C C 175.689 0.002 1 412 303 46 ASN CA C 54.473 0.049 1 413 303 46 ASN CB C 40.826 0.027 1 414 303 46 ASN N N 119.118 0.012 1 415 304 47 ALA H H 9.154 0.001 1 416 304 47 ALA HA H 3.965 0.002 1 417 304 47 ALA HB H 1.503 0.001 1 418 304 47 ALA C C 179.803 0.035 1 419 304 47 ALA CA C 55.862 0.028 1 420 304 47 ALA CB C 18.957 0.023 1 421 304 47 ALA N N 130.197 0.009 1 422 305 48 ASP H H 7.867 0.001 1 423 305 48 ASP HA H 4.518 0.002 1 424 305 48 ASP HB2 H 3.078 0.001 2 425 305 48 ASP HB3 H 2.656 0.001 2 426 305 48 ASP C C 179.424 0.119 1 427 305 48 ASP CA C 57.601 0.044 1 428 305 48 ASP CB C 40.545 0.019 1 429 305 48 ASP N N 118.428 0.012 1 430 306 49 VAL H H 8.535 0.002 1 431 306 49 VAL HA H 3.401 0.001 1 432 306 49 VAL HB H 2.677 0.001 1 433 306 49 VAL HG1 H 1.167 0.001 2 434 306 49 VAL HG2 H 0.854 0.002 2 435 306 49 VAL C C 178.632 0.006 1 436 306 49 VAL CA C 67.006 0.051 1 437 306 49 VAL CB C 31.473 0.037 1 438 306 49 VAL CG1 C 23.128 0.018 2 439 306 49 VAL CG2 C 20.949 0.038 2 440 306 49 VAL N N 122.448 0.025 1 441 307 50 GLN H H 8.659 0.002 1 442 307 50 GLN HA H 3.676 0.002 1 443 307 50 GLN HB2 H 2.100 0.005 2 444 307 50 GLN HG2 H 2.848 0.001 2 445 307 50 GLN HG3 H 2.289 0.002 2 446 307 50 GLN C C 178.660 0.100 1 447 307 50 GLN CA C 61.156 0.048 1 448 307 50 GLN CB C 27.038 0.009 1 449 307 50 GLN CG C 34.488 0.039 1 450 307 50 GLN N N 117.372 0.022 1 451 308 51 GLU H H 7.742 0.002 1 452 308 51 GLU HA H 4.042 0.005 1 453 308 51 GLU HB2 H 2.255 0.013 2 454 308 51 GLU HB3 H 2.200 0.011 2 455 308 51 GLU HG2 H 2.459 0.002 2 456 308 51 GLU HG3 H 2.275 0.003 2 457 308 51 GLU C C 178.756 0.008 1 458 308 51 GLU CA C 59.667 0.035 1 459 308 51 GLU CB C 29.730 0.030 1 460 308 51 GLU CG C 36.292 0.034 1 461 308 51 GLU N N 117.447 0.026 1 462 309 52 ARG H H 7.426 0.001 1 463 309 52 ARG HA H 4.238 0.002 1 464 309 52 ARG HG2 H 1.893 0.020 2 465 309 52 ARG C C 176.929 0.100 1 466 309 52 ARG CA C 56.565 0.041 1 467 309 52 ARG CB C 30.108 0.037 1 468 309 52 ARG CG C 27.470 0.100 1 469 309 52 ARG N N 115.160 0.010 1 470 310 53 LEU H H 7.828 0.001 1 471 310 53 LEU HA H 4.433 0.002 1 472 310 53 LEU HB2 H 1.925 0.001 2 473 310 53 LEU HB3 H 1.644 0.002 2 474 310 53 LEU HG H 2.028 0.007 1 475 310 53 LEU HD1 H 0.832 0.002 2 476 310 53 LEU HD2 H 0.679 0.003 2 477 310 53 LEU C C 177.597 0.007 1 478 310 53 LEU CA C 55.979 0.059 1 479 310 53 LEU CB C 41.757 0.023 1 480 310 53 LEU CG C 26.775 0.041 1 481 310 53 LEU CD1 C 25.247 0.016 2 482 310 53 LEU CD2 C 23.508 0.078 2 483 310 53 LEU N N 117.265 0.014 1 484 311 54 LEU H H 7.362 0.002 1 485 311 54 LEU HA H 4.107 0.005 1 486 311 54 LEU HB2 H 1.872 0.004 2 487 311 54 LEU HB3 H 1.603 0.002 2 488 311 54 LEU HD1 H 0.998 0.020 2 489 311 54 LEU HD2 H 0.912 0.001 2 490 311 54 LEU C C 176.057 0.100 1 491 311 54 LEU CA C 59.534 0.049 1 492 311 54 LEU CB C 40.075 0.048 1 493 311 54 LEU N N 118.927 0.011 1 494 312 55 PRO HA H 4.215 0.002 1 495 312 55 PRO HB2 H 2.075 0.001 2 496 312 55 PRO C C 176.594 0.017 1 497 312 55 PRO CA C 65.125 0.045 1 498 312 55 PRO CB C 30.989 0.026 1 499 312 55 PRO CG C 27.852 0.009 1 500 313 56 TYR H H 7.889 0.001 1 501 313 56 TYR HA H 4.386 0.001 1 502 313 56 TYR HB2 H 3.378 0.002 2 503 313 56 TYR HB3 H 2.791 0.003 2 504 313 56 TYR HD1 H 7.145 0.020 3 505 313 56 TYR HE1 H 6.751 0.001 3 506 313 56 TYR C C 175.032 0.011 1 507 313 56 TYR CA C 57.256 0.060 1 508 313 56 TYR CB C 38.399 0.054 1 509 313 56 TYR CE1 C 117.768 0.100 3 510 313 56 TYR N N 114.455 0.021 1 511 314 57 LEU H H 7.511 0.001 1 512 314 57 LEU HA H 4.633 0.003 1 513 314 57 LEU HB2 H 1.806 0.002 2 514 314 57 LEU HB3 H 1.520 0.003 2 515 314 57 LEU HG H 1.659 0.020 1 516 314 57 LEU HD1 H 0.838 0.001 2 517 314 57 LEU C C 175.173 0.100 1 518 314 57 LEU CA C 53.369 0.032 1 519 314 57 LEU CB C 43.478 0.039 1 520 314 57 LEU N N 124.155 0.031 1 521 315 58 PRO HA H 4.410 0.003 1 522 315 58 PRO HB2 H 2.288 0.002 2 523 315 58 PRO HB3 H 1.912 0.003 2 524 315 58 PRO HD2 H 4.244 0.020 2 525 315 58 PRO HD3 H 3.397 0.020 2 526 315 58 PRO C C 176.427 0.100 1 527 315 58 PRO CA C 62.729 0.008 1 528 315 58 PRO CB C 32.118 0.053 1 529 315 58 PRO CG C 27.892 0.100 1 530 316 59 SER H H 8.376 0.001 1 531 316 59 SER HA H 4.198 0.002 1 532 316 59 SER HB2 H 3.849 0.002 2 533 316 59 SER C C 176.095 0.100 1 534 316 59 SER CA C 59.713 0.051 1 535 316 59 SER CB C 63.131 0.038 1 536 316 59 SER N N 115.885 0.028 1 537 317 60 GLY H H 8.735 0.001 1 538 317 60 GLY HA2 H 4.217 0.001 2 539 317 60 GLY HA3 H 3.746 0.001 2 540 317 60 GLY C C 174.202 0.008 1 541 317 60 GLY CA C 45.396 0.027 1 542 317 60 GLY N N 113.823 0.018 1 543 318 61 GLU H H 7.783 0.003 1 544 318 61 GLU HA H 4.560 0.004 1 545 318 61 GLU HB2 H 2.112 0.002 2 546 318 61 GLU HB3 H 1.881 0.002 2 547 318 61 GLU HG2 H 2.206 0.002 2 548 318 61 GLU C C 175.236 0.004 1 549 318 61 GLU CA C 55.429 0.046 1 550 318 61 GLU CB C 31.075 0.012 1 551 318 61 GLU CG C 36.349 0.002 1 552 318 61 GLU N N 119.817 0.010 1 553 319 62 SER H H 8.459 0.020 1 554 319 62 SER HA H 4.660 0.002 1 555 319 62 SER HB2 H 3.788 0.002 2 556 319 62 SER HB3 H 3.718 0.001 2 557 319 62 SER C C 173.529 0.007 1 558 319 62 SER CA C 57.449 0.045 1 559 319 62 SER CB C 65.449 0.074 1 560 319 62 SER N N 114.158 0.014 1 561 320 63 LEU H H 8.618 0.002 1 562 320 63 LEU HA H 4.668 0.003 1 563 320 63 LEU HG H 1.665 0.020 1 564 320 63 LEU HD1 H 0.897 0.020 2 565 320 63 LEU C C 175.096 0.100 1 566 320 63 LEU CA C 52.586 0.037 1 567 320 63 LEU CB C 42.490 0.100 1 568 320 63 LEU N N 123.605 0.046 1 569 321 64 PRO HA H 4.493 0.002 1 570 321 64 PRO HB2 H 1.731 0.020 2 571 321 64 PRO HG2 H 2.287 0.001 2 572 321 64 PRO HD2 H 3.933 0.020 2 573 321 64 PRO HD3 H 3.432 0.020 2 574 321 64 PRO C C 175.873 0.100 1 575 321 64 PRO CA C 62.713 0.042 1 576 321 64 PRO CB C 32.331 0.009 1 577 321 64 PRO CG C 27.479 0.011 1 578 322 65 GLN H H 8.701 0.001 1 579 322 65 GLN HA H 4.445 0.002 1 580 322 65 GLN HB2 H 2.293 0.002 2 581 322 65 GLN HB3 H 2.032 0.005 2 582 322 65 GLN HG2 H 2.441 0.020 2 583 322 65 GLN HG3 H 2.412 0.020 2 584 322 65 GLN C C 176.251 0.100 1 585 322 65 GLN CA C 56.573 0.022 1 586 322 65 GLN CB C 31.072 0.025 1 587 322 65 GLN N N 117.137 0.010 1 588 323 66 THR HA H 4.706 0.003 1 589 323 66 THR HB H 4.489 0.001 1 590 323 66 THR HG2 H 1.230 0.001 1 591 323 66 THR C C 174.484 0.021 1 592 323 66 THR CA C 59.711 0.046 1 593 323 66 THR CB C 71.930 0.044 1 594 323 66 THR CG2 C 21.666 0.016 1 595 324 67 ALA H H 8.952 0.001 1 596 324 67 ALA HA H 3.944 0.003 1 597 324 67 ALA HB H 1.339 0.001 1 598 324 67 ALA C C 179.396 0.018 1 599 324 67 ALA CA C 54.790 0.019 1 600 324 67 ALA CB C 18.034 0.038 1 601 324 67 ALA N N 125.324 0.012 1 602 325 68 ASP H H 8.463 0.002 1 603 325 68 ASP HA H 4.296 0.002 1 604 325 68 ASP HB2 H 2.595 0.020 2 605 325 68 ASP C C 178.004 0.029 1 606 325 68 ASP CA C 57.005 0.028 1 607 325 68 ASP CB C 41.038 0.047 1 608 325 68 ASP N N 116.926 0.018 1 609 326 69 GLU H H 7.738 0.001 1 610 326 69 GLU HA H 4.136 0.001 1 611 326 69 GLU HB2 H 2.123 0.002 2 612 326 69 GLU HB3 H 2.015 0.001 2 613 326 69 GLU C C 179.631 0.025 1 614 326 69 GLU CA C 58.623 0.057 1 615 326 69 GLU CB C 30.828 0.046 1 616 326 69 GLU CG C 37.171 0.100 1 617 326 69 GLU N N 118.219 0.012 1 618 327 70 ILE H H 7.953 0.001 1 619 327 70 ILE HA H 3.657 0.001 1 620 327 70 ILE HB H 2.007 0.003 1 621 327 70 ILE HG12 H 1.682 0.002 2 622 327 70 ILE HG13 H 1.016 0.003 2 623 327 70 ILE HG2 H 0.889 0.002 1 624 327 70 ILE HD1 H 0.718 0.001 1 625 327 70 ILE C C 176.005 0.002 1 626 327 70 ILE CA C 64.318 0.031 1 627 327 70 ILE CB C 37.373 0.057 1 628 327 70 ILE CG1 C 29.362 0.033 1 629 327 70 ILE CG2 C 17.288 0.019 1 630 327 70 ILE CD1 C 13.003 0.026 1 631 327 70 ILE N N 121.063 0.023 1 632 328 71 GLN H H 8.072 0.002 1 633 328 71 GLN HA H 3.892 0.002 1 634 328 71 GLN HB2 H 1.976 0.001 2 635 328 71 GLN HG2 H 2.177 0.006 2 636 328 71 GLN C C 177.206 0.100 1 637 328 71 GLN CA C 58.381 0.040 1 638 328 71 GLN CB C 29.362 0.053 1 639 328 71 GLN CG C 34.260 0.047 1 640 328 71 GLN N N 116.522 0.035 1 641 329 72 ASN H H 8.152 0.004 1 642 329 72 ASN HA H 4.817 0.003 1 643 329 72 ASN HB2 H 2.796 0.001 2 644 329 72 ASN C C 176.561 0.094 1 645 329 72 ASN CA C 54.593 0.019 1 646 329 72 ASN CB C 40.296 0.035 1 647 329 72 ASN N N 113.733 0.030 1 648 330 73 THR H H 8.040 0.001 1 649 330 73 THR HA H 4.460 0.003 1 650 330 73 THR HB H 4.322 0.020 1 651 330 73 THR HG2 H 1.197 0.020 1 652 330 73 THR CA C 63.624 0.029 1 653 330 73 THR CB C 70.013 0.017 1 654 330 73 THR N N 112.876 0.016 1 655 335 78 GLN HA H 4.165 0.002 1 656 335 78 GLN C C 179.092 0.100 1 657 335 78 GLN CA C 58.642 0.054 1 658 335 78 GLN CB C 29.270 0.100 1 659 335 78 GLN CG C 34.671 0.100 1 660 336 79 PHE H H 8.911 0.004 1 661 336 79 PHE HA H 4.157 0.001 1 662 336 79 PHE HB2 H 3.326 0.004 2 663 336 79 PHE HB3 H 3.178 0.007 2 664 336 79 PHE HE1 H 6.803 0.001 3 665 336 79 PHE C C 176.886 0.018 1 666 336 79 PHE CA C 61.865 0.030 1 667 336 79 PHE CB C 38.928 0.053 1 668 336 79 PHE CE1 C 131.154 0.100 3 669 336 79 PHE N N 123.264 0.023 1 670 337 80 GLN H H 8.520 0.002 1 671 337 80 GLN HA H 3.703 0.001 1 672 337 80 GLN HB2 H 2.173 0.001 2 673 337 80 GLN HG2 H 2.552 0.002 2 674 337 80 GLN HG3 H 2.440 0.020 2 675 337 80 GLN C C 179.488 0.029 1 676 337 80 GLN CA C 59.394 0.032 1 677 337 80 GLN CB C 28.013 0.041 1 678 337 80 GLN CG C 34.113 0.006 1 679 337 80 GLN N N 117.512 0.012 1 680 338 81 GLN H H 7.912 0.002 1 681 338 81 GLN HA H 4.123 0.001 1 682 338 81 GLN HB2 H 2.225 0.001 2 683 338 81 GLN C C 178.837 0.004 1 684 338 81 GLN CA C 58.963 0.056 1 685 338 81 GLN CB C 28.736 0.050 1 686 338 81 GLN CG C 34.266 0.006 1 687 338 81 GLN N N 119.809 0.038 1 688 339 82 ALA H H 7.946 0.003 1 689 339 82 ALA HA H 4.143 0.001 1 690 339 82 ALA HB H 1.332 0.001 1 691 339 82 ALA C C 179.661 0.029 1 692 339 82 ALA CA C 55.382 0.028 1 693 339 82 ALA CB C 16.990 0.029 1 694 339 82 ALA N N 124.005 0.025 1 695 340 83 LEU H H 8.402 0.001 1 696 340 83 LEU HA H 3.830 0.001 1 697 340 83 LEU HB2 H 1.441 0.005 2 698 340 83 LEU HB3 H 1.337 0.002 2 699 340 83 LEU HG H 1.182 0.002 1 700 340 83 LEU HD1 H 0.704 0.002 2 701 340 83 LEU HD2 H 0.611 0.002 2 702 340 83 LEU C C 179.870 0.021 1 703 340 83 LEU CA C 57.358 0.045 1 704 340 83 LEU CB C 41.377 0.040 1 705 340 83 LEU CG C 26.016 0.152 1 706 340 83 LEU CD1 C 24.988 0.054 2 707 340 83 LEU CD2 C 23.855 0.034 2 708 340 83 LEU N N 117.942 0.014 1 709 341 84 GLY H H 8.134 0.002 1 710 341 84 GLY HA2 H 3.975 0.003 2 711 341 84 GLY HA3 H 3.847 0.001 2 712 341 84 GLY C C 176.855 0.010 1 713 341 84 GLY CA C 47.175 0.012 1 714 341 84 GLY N N 108.987 0.015 1 715 342 85 MET H H 7.802 0.003 1 716 342 85 MET HA H 3.978 0.003 1 717 342 85 MET HB2 H 2.355 0.010 2 718 342 85 MET HB3 H 2.012 0.004 2 719 342 85 MET HG2 H 2.719 0.001 2 720 342 85 MET HG3 H 2.561 0.020 2 721 342 85 MET C C 176.949 0.100 1 722 342 85 MET CA C 59.243 0.051 1 723 342 85 MET CB C 33.922 0.046 1 724 342 85 MET CG C 31.631 0.004 1 725 342 85 MET N N 122.475 0.011 1 726 343 86 PHE H H 8.426 0.002 1 727 343 86 PHE HA H 3.738 0.001 1 728 343 86 PHE HB2 H 3.149 0.002 2 729 343 86 PHE HB3 H 2.821 0.001 2 730 343 86 PHE C C 175.937 0.100 1 731 343 86 PHE CA C 61.762 0.022 1 732 343 86 PHE CB C 39.147 0.020 1 733 343 86 PHE N N 118.825 0.033 1 734 344 87 SER H H 8.758 0.003 1 735 344 87 SER HA H 3.919 0.020 1 736 344 87 SER C C 175.628 0.100 1 737 344 87 SER CA C 62.185 0.042 1 738 344 87 SER CB C 62.890 0.035 1 739 344 87 SER N N 114.509 0.022 1 740 345 88 ALA H H 7.364 0.002 1 741 345 88 ALA HA H 3.874 0.002 1 742 345 88 ALA HB H 0.935 0.001 1 743 345 88 ALA C C 180.135 0.003 1 744 345 88 ALA CA C 54.851 0.038 1 745 345 88 ALA CB C 17.490 0.047 1 746 345 88 ALA N N 123.889 0.026 1 747 346 89 ALA H H 7.611 0.002 1 748 346 89 ALA HA H 3.859 0.003 1 749 346 89 ALA HB H 1.125 0.001 1 750 346 89 ALA C C 180.763 0.013 1 751 346 89 ALA CA C 54.379 0.047 1 752 346 89 ALA CB C 18.290 0.035 1 753 346 89 ALA N N 120.775 0.016 1 754 347 90 LEU H H 8.758 0.001 1 755 347 90 LEU HA H 3.650 0.001 1 756 347 90 LEU HB2 H 1.410 0.001 2 757 347 90 LEU HB3 H 0.779 0.002 2 758 347 90 LEU HG H 1.066 0.001 1 759 347 90 LEU HD1 H 0.263 0.019 2 760 347 90 LEU HD2 H 0.216 0.018 2 761 347 90 LEU C C 181.006 0.014 1 762 347 90 LEU CA C 57.229 0.048 1 763 347 90 LEU CB C 41.394 0.037 1 764 347 90 LEU CG C 26.881 0.073 1 765 347 90 LEU CD1 C 25.107 0.086 2 766 347 90 LEU CD2 C 24.558 0.042 2 767 347 90 LEU N N 122.381 0.021 1 768 348 91 ALA H H 8.237 0.001 1 769 348 91 ALA HA H 4.322 0.003 1 770 348 91 ALA HB H 1.474 0.003 1 771 348 91 ALA C C 178.134 0.100 1 772 348 91 ALA CA C 54.018 0.018 1 773 348 91 ALA CB C 18.198 0.036 1 774 348 91 ALA N N 122.261 0.036 1 775 349 92 SER H H 7.370 0.002 1 776 349 92 SER HA H 4.428 0.002 1 777 349 92 SER HB2 H 4.197 0.001 2 778 349 92 SER HB3 H 4.089 0.020 2 779 349 92 SER C C 175.814 0.100 1 780 349 92 SER CA C 59.850 0.046 1 781 349 92 SER CB C 64.919 0.068 1 782 349 92 SER N N 110.515 0.008 1 783 350 93 GLY H H 7.812 0.001 1 784 350 93 GLY HA2 H 4.416 0.002 2 785 350 93 GLY HA3 H 3.821 0.003 2 786 350 93 GLY C C 176.454 0.026 1 787 350 93 GLY CA C 46.058 0.030 1 788 350 93 GLY N N 109.091 0.025 1 789 351 94 GLN H H 7.870 0.001 1 790 351 94 GLN HA H 4.228 0.003 1 791 351 94 GLN HB2 H 2.299 0.011 2 792 351 94 GLN HB3 H 1.846 0.002 2 793 351 94 GLN C C 176.673 0.009 1 794 351 94 GLN CA C 57.009 0.031 1 795 351 94 GLN CB C 29.692 0.015 1 796 351 94 GLN CG C 34.102 0.009 1 797 351 94 GLN N N 116.225 0.010 1 798 352 95 LEU H H 8.178 0.002 1 799 352 95 LEU HA H 4.428 0.003 1 800 352 95 LEU HB2 H 1.641 0.020 2 801 352 95 LEU HB3 H 1.434 0.002 2 802 352 95 LEU HG H 1.217 0.003 1 803 352 95 LEU HD1 H 0.658 0.001 2 804 352 95 LEU HD2 H 0.349 0.001 2 805 352 95 LEU C C 177.915 0.010 1 806 352 95 LEU CA C 54.635 0.017 1 807 352 95 LEU CB C 42.374 0.077 1 808 352 95 LEU CG C 26.777 0.024 1 809 352 95 LEU CD1 C 23.749 0.100 2 810 352 95 LEU N N 114.657 0.016 1 811 353 96 GLY H H 7.669 0.002 1 812 353 96 GLY HA2 H 4.234 0.001 2 813 353 96 GLY HA3 H 3.404 0.001 2 814 353 96 GLY C C 173.791 0.100 1 815 353 96 GLY CA C 49.355 0.019 1 816 353 96 GLY N N 107.322 0.015 1 817 354 97 PRO HA H 4.445 0.002 1 818 354 97 PRO HB2 H 2.442 0.001 2 819 354 97 PRO HB3 H 1.797 0.001 2 820 354 97 PRO HG2 H 2.022 0.020 2 821 354 97 PRO HD2 H 3.668 0.020 2 822 354 97 PRO C C 177.876 0.100 1 823 354 97 PRO CA C 64.935 0.049 1 824 354 97 PRO CB C 32.256 0.034 1 825 354 97 PRO CG C 27.952 0.007 1 826 355 98 LEU H H 7.506 0.001 1 827 355 98 LEU HA H 4.371 0.002 1 828 355 98 LEU HB2 H 1.849 0.001 2 829 355 98 LEU HB3 H 1.506 0.001 2 830 355 98 LEU C C 178.546 0.020 1 831 355 98 LEU CA C 55.536 0.022 1 832 355 98 LEU CB C 42.850 0.035 1 833 355 98 LEU CG C 27.600 0.100 1 834 355 98 LEU CD1 C 25.857 0.100 2 835 355 98 LEU CD2 C 23.632 0.100 2 836 355 98 LEU N N 114.425 0.027 1 837 356 99 MET H H 7.790 0.001 1 838 356 99 MET HA H 4.932 0.004 1 839 356 99 MET HB2 H 2.367 0.002 2 840 356 99 MET HB3 H 2.211 0.002 2 841 356 99 MET HG2 H 2.892 0.004 2 842 356 99 MET HG3 H 2.525 0.004 2 843 356 99 MET C C 177.474 0.006 1 844 356 99 MET CA C 55.921 0.042 1 845 356 99 MET CB C 31.837 0.025 1 846 356 99 MET CG C 33.117 0.036 1 847 356 99 MET N N 114.165 0.010 1 848 357 100 CYS H H 8.015 0.002 1 849 357 100 CYS HA H 4.401 0.002 1 850 357 100 CYS HB2 H 3.147 0.002 2 851 357 100 CYS HB3 H 3.068 0.002 2 852 357 100 CYS C C 176.007 0.035 1 853 357 100 CYS CA C 60.020 0.044 1 854 357 100 CYS CB C 27.244 0.042 1 855 357 100 CYS N N 116.315 0.023 1 856 358 101 GLN H H 7.383 0.001 1 857 358 101 GLN HA H 4.354 0.002 1 858 358 101 GLN HB2 H 1.763 0.001 2 859 358 101 GLN HB3 H 1.673 0.001 2 860 358 101 GLN HG2 H 1.977 0.002 2 861 358 101 GLN HG3 H 1.457 0.003 2 862 358 101 GLN C C 175.993 0.100 1 863 358 101 GLN CA C 56.691 0.026 1 864 358 101 GLN CB C 29.038 0.018 1 865 358 101 GLN CG C 32.913 0.053 1 866 358 101 GLN N N 118.040 0.031 1 867 359 102 PHE H H 7.542 0.002 1 868 359 102 PHE HA H 4.823 0.002 1 869 359 102 PHE HB2 H 3.678 0.020 2 870 359 102 PHE HB3 H 2.638 0.020 2 871 359 102 PHE HD1 H 7.313 0.001 3 872 359 102 PHE HE1 H 7.319 0.020 3 873 359 102 PHE C C 175.553 0.015 1 874 359 102 PHE CA C 58.339 0.037 1 875 359 102 PHE CB C 40.385 0.067 1 876 359 102 PHE CD1 C 131.909 0.100 3 877 359 102 PHE N N 116.971 0.005 1 878 360 103 GLY H H 8.381 0.001 1 879 360 103 GLY HA2 H 3.930 0.020 2 880 360 103 GLY C C 174.862 0.016 1 881 360 103 GLY CA C 46.789 0.020 1 882 360 103 GLY N N 110.155 0.007 1 883 361 104 LEU H H 7.990 0.001 1 884 361 104 LEU HA H 4.466 0.003 1 885 361 104 LEU HB2 H 1.636 0.020 2 886 361 104 LEU HB3 H 1.426 0.003 2 887 361 104 LEU HD1 H 1.178 0.020 2 888 361 104 LEU HD2 H 0.915 0.020 2 889 361 104 LEU C C 174.057 0.100 1 890 361 104 LEU CA C 53.058 0.018 1 891 361 104 LEU CB C 40.269 0.038 1 892 361 104 LEU N N 118.740 0.015 1 893 362 105 PRO HA H 4.496 0.003 1 894 362 105 PRO HB2 H 2.540 0.001 2 895 362 105 PRO HB3 H 1.825 0.001 2 896 362 105 PRO HD2 H 3.869 0.020 2 897 362 105 PRO HD3 H 3.430 0.020 2 898 362 105 PRO C C 177.879 0.038 1 899 362 105 PRO CA C 62.768 0.035 1 900 362 105 PRO CB C 32.391 0.038 1 901 362 105 PRO CG C 28.081 0.023 1 902 363 106 ALA H H 9.088 0.001 1 903 363 106 ALA HA H 4.006 0.004 1 904 363 106 ALA HB H 1.480 0.002 1 905 363 106 ALA C C 180.458 0.003 1 906 363 106 ALA CA C 55.925 0.035 1 907 363 106 ALA CB C 18.167 0.023 1 908 363 106 ALA N N 128.241 0.006 1 909 364 107 GLU H H 9.693 0.001 1 910 364 107 GLU HA H 4.065 0.002 1 911 364 107 GLU HB2 H 1.971 0.001 2 912 364 107 GLU HG2 H 2.400 0.020 2 913 364 107 GLU C C 179.965 0.064 1 914 364 107 GLU CA C 59.909 0.032 1 915 364 107 GLU CB C 29.444 0.036 1 916 364 107 GLU CG C 37.168 0.060 1 917 364 107 GLU N N 116.011 0.014 1 918 365 108 ALA H H 7.641 0.001 1 919 365 108 ALA HA H 3.989 0.003 1 920 365 108 ALA HB H 1.224 0.002 1 921 365 108 ALA C C 178.616 0.100 1 922 365 108 ALA CA C 54.698 0.040 1 923 365 108 ALA CB C 18.562 0.046 1 924 365 108 ALA N N 121.841 0.026 1 925 366 109 VAL H H 7.574 0.002 1 926 366 109 VAL HA H 3.394 0.002 1 927 366 109 VAL HB H 2.224 0.001 1 928 366 109 VAL HG1 H 0.948 0.020 2 929 366 109 VAL HG2 H 0.952 0.002 2 930 366 109 VAL C C 178.446 0.047 1 931 366 109 VAL CA C 67.433 0.026 1 932 366 109 VAL CB C 31.687 0.014 1 933 366 109 VAL CG1 C 23.126 0.011 2 934 366 109 VAL CG2 C 21.731 0.025 2 935 366 109 VAL N N 120.271 0.010 1 936 367 110 GLU H H 8.309 0.001 1 937 367 110 GLU HA H 4.171 0.020 1 938 367 110 GLU HB2 H 2.044 0.002 2 939 367 110 GLU HB3 H 1.982 0.006 2 940 367 110 GLU HG2 H 2.299 0.002 2 941 367 110 GLU C C 178.945 0.009 1 942 367 110 GLU CA C 59.396 0.032 1 943 367 110 GLU CB C 29.309 0.021 1 944 367 110 GLU CG C 35.730 0.042 1 945 367 110 GLU N N 119.399 0.020 1 946 368 111 ALA H H 7.555 0.001 1 947 368 111 ALA HA H 4.240 0.003 1 948 368 111 ALA HB H 1.773 0.001 1 949 368 111 ALA C C 180.222 0.024 1 950 368 111 ALA CA C 55.324 0.014 1 951 368 111 ALA CB C 18.232 0.024 1 952 368 111 ALA N N 120.418 0.021 1 953 369 112 ALA H H 8.418 0.001 1 954 369 112 ALA HA H 3.889 0.002 1 955 369 112 ALA HB H 1.450 0.002 1 956 369 112 ALA C C 180.382 0.017 1 957 369 112 ALA CA C 54.833 0.026 1 958 369 112 ALA CB C 18.177 0.011 1 959 369 112 ALA N N 119.518 0.013 1 960 370 113 ASN H H 8.394 0.006 1 961 370 113 ASN HA H 4.575 0.002 1 962 370 113 ASN HB2 H 3.048 0.002 2 963 370 113 ASN HB3 H 2.818 0.001 2 964 370 113 ASN C C 176.858 0.016 1 965 370 113 ASN CA C 55.953 0.041 1 966 370 113 ASN CB C 38.453 0.035 1 967 370 113 ASN N N 119.415 0.058 1 968 371 114 LYS H H 7.645 0.001 1 969 371 114 LYS HA H 4.351 0.001 1 970 371 114 LYS HB2 H 2.046 0.020 2 971 371 114 LYS HB3 H 1.873 0.020 2 972 371 114 LYS HG2 H 1.596 0.004 2 973 371 114 LYS HE2 H 3.000 0.020 2 974 371 114 LYS C C 176.774 0.019 1 975 371 114 LYS CA C 56.380 0.026 1 976 371 114 LYS CB C 33.499 0.045 1 977 371 114 LYS CG C 25.201 0.017 1 978 371 114 LYS N N 116.994 0.005 1 979 372 115 GLY H H 7.727 0.001 1 980 372 115 GLY HA2 H 3.938 0.001 2 981 372 115 GLY C C 173.116 0.020 1 982 372 115 GLY CA C 46.186 0.017 1 983 372 115 GLY N N 108.954 0.010 1 984 373 116 ASP H H 7.779 0.001 1 985 373 116 ASP HA H 4.732 0.004 1 986 373 116 ASP HB2 H 2.970 0.005 2 987 373 116 ASP HB3 H 2.310 0.004 2 988 373 116 ASP C C 175.420 0.016 1 989 373 116 ASP CA C 52.299 0.042 1 990 373 116 ASP CB C 41.977 0.050 1 991 373 116 ASP N N 118.838 0.018 1 992 374 117 VAL H H 8.386 0.001 1 993 374 117 VAL HA H 3.474 0.004 1 994 374 117 VAL HB H 2.057 0.001 1 995 374 117 VAL HG1 H 1.043 0.002 2 996 374 117 VAL HG2 H 1.005 0.002 2 997 374 117 VAL C C 177.264 0.007 1 998 374 117 VAL CA C 66.428 0.039 1 999 374 117 VAL CB C 32.022 0.049 1 1000 374 117 VAL CG1 C 22.929 0.018 2 1001 374 117 VAL CG2 C 21.335 0.021 2 1002 374 117 VAL N N 125.232 0.024 1 1003 375 118 GLU H H 8.305 0.001 1 1004 375 118 GLU HA H 3.990 0.001 1 1005 375 118 GLU HB2 H 2.119 0.002 2 1006 375 118 GLU HG2 H 2.338 0.020 2 1007 375 118 GLU HG3 H 2.246 0.020 2 1008 375 118 GLU C C 179.172 0.002 1 1009 375 118 GLU CA C 59.986 0.029 1 1010 375 118 GLU CB C 29.251 0.028 1 1011 375 118 GLU CG C 36.840 0.052 1 1012 375 118 GLU N N 120.558 0.022 1 1013 376 119 ALA H H 8.168 0.003 1 1014 376 119 ALA HA H 4.074 0.020 1 1015 376 119 ALA HB H 1.370 0.003 1 1016 376 119 ALA C C 180.471 0.014 1 1017 376 119 ALA CB C 18.275 0.027 1 1018 376 119 ALA N N 121.726 0.017 1 1019 377 120 PHE H H 8.368 0.002 1 1020 377 120 PHE HA H 3.801 0.002 1 1021 377 120 PHE HB2 H 3.436 0.003 2 1022 377 120 PHE HB3 H 2.976 0.002 2 1023 377 120 PHE HD1 H 7.357 0.020 3 1024 377 120 PHE C C 175.683 0.007 1 1025 377 120 PHE CA C 62.735 0.034 1 1026 377 120 PHE CB C 39.655 0.067 1 1027 377 120 PHE N N 122.282 0.059 1 1028 378 121 ALA H H 8.511 0.001 1 1029 378 121 ALA HA H 3.750 0.001 1 1030 378 121 ALA HB H 1.488 0.001 1 1031 378 121 ALA C C 179.414 0.025 1 1032 378 121 ALA CA C 55.611 0.034 1 1033 378 121 ALA CB C 18.006 0.022 1 1034 378 121 ALA N N 120.783 0.029 1 1035 379 122 LYS H H 8.102 0.003 1 1036 379 122 LYS HA H 3.942 0.004 1 1037 379 122 LYS HB2 H 1.818 0.001 2 1038 379 122 LYS HG2 H 1.551 0.002 2 1039 379 122 LYS HG3 H 1.413 0.002 2 1040 379 122 LYS HD2 H 1.653 0.020 2 1041 379 122 LYS C C 178.915 0.043 1 1042 379 122 LYS CA C 59.326 0.055 1 1043 379 122 LYS CB C 32.379 0.019 1 1044 379 122 LYS CG C 25.261 0.016 1 1045 379 122 LYS N N 116.670 0.022 1 1046 380 123 ALA H H 7.835 0.001 1 1047 380 123 ALA HA H 4.090 0.003 1 1048 380 123 ALA HB H 1.228 0.001 1 1049 380 123 ALA C C 179.810 0.022 1 1050 380 123 ALA CA C 54.056 0.028 1 1051 380 123 ALA CB C 18.537 0.036 1 1052 380 123 ALA N N 120.037 0.012 1 1053 381 124 MET H H 7.491 0.001 1 1054 381 124 MET HA H 4.392 0.003 1 1055 381 124 MET HB2 H 1.843 0.005 2 1056 381 124 MET C C 178.185 0.036 1 1057 381 124 MET CA C 54.746 0.027 1 1058 381 124 MET CB C 29.887 0.035 1 1059 381 124 MET CG C 31.804 0.005 1 1060 381 124 MET N N 114.809 0.011 1 1061 382 125 GLN H H 7.867 0.001 1 1062 382 125 GLN HA H 4.101 0.002 1 1063 382 125 GLN HB2 H 2.127 0.001 2 1064 382 125 GLN HG2 H 2.446 0.001 2 1065 382 125 GLN HG3 H 2.338 0.001 2 1066 382 125 GLN C C 176.997 0.012 1 1067 382 125 GLN CA C 57.863 0.026 1 1068 382 125 GLN CB C 29.275 0.026 1 1069 382 125 GLN CG C 34.123 0.012 1 1070 382 125 GLN N N 120.659 0.013 1 1071 383 126 ASN H H 8.222 0.001 1 1072 383 126 ASN HA H 4.645 0.002 1 1073 383 126 ASN HB2 H 2.888 0.002 2 1074 383 126 ASN HB3 H 2.775 0.001 2 1075 383 126 ASN C C 175.434 0.036 1 1076 383 126 ASN CA C 53.886 0.048 1 1077 383 126 ASN CB C 38.665 0.018 1 1078 383 126 ASN N N 117.739 0.013 1 1079 384 127 ASN H H 7.931 0.001 1 1080 384 127 ASN HA H 4.694 0.001 1 1081 384 127 ASN HB2 H 2.836 0.002 2 1082 384 127 ASN HB3 H 2.669 0.002 2 1083 384 127 ASN C C 174.510 0.015 1 1084 384 127 ASN CA C 53.710 0.057 1 1085 384 127 ASN CB C 39.707 0.028 1 1086 384 127 ASN N N 118.503 0.013 1 1087 385 128 ALA H H 7.886 0.001 1 1088 385 128 ALA HA H 4.314 0.003 1 1089 385 128 ALA HB H 1.404 0.002 1 1090 385 128 ALA C C 177.280 0.003 1 1091 385 128 ALA CA C 52.521 0.019 1 1092 385 128 ALA CB C 19.291 0.014 1 1093 385 128 ALA N N 123.400 0.006 1 1094 386 129 LYS H H 8.213 0.020 1 1095 386 129 LYS HA H 4.598 0.001 1 1096 386 129 LYS HB2 H 1.835 0.020 2 1097 386 129 LYS HB3 H 1.724 0.020 2 1098 386 129 LYS HG2 H 1.500 0.020 2 1099 386 129 LYS HG3 H 1.454 0.020 2 1100 386 129 LYS HE2 H 3.015 0.020 2 1101 386 129 LYS C C 174.549 0.100 1 1102 386 129 LYS CA C 54.215 0.048 1 1103 386 129 LYS CB C 32.512 0.100 1 1104 386 129 LYS N N 121.855 0.007 1 1105 387 130 PRO HA H 4.427 0.004 1 1106 387 130 PRO HB2 H 2.288 0.001 2 1107 387 130 PRO HB3 H 1.899 0.008 2 1108 387 130 PRO HG2 H 2.015 0.004 2 1109 387 130 PRO HD2 H 3.807 0.007 2 1110 387 130 PRO HD3 H 3.656 0.002 2 1111 387 130 PRO C C 177.047 0.100 1 1112 387 130 PRO CA C 63.182 0.029 1 1113 387 130 PRO CB C 32.086 0.016 1 1114 387 130 PRO CG C 27.394 0.044 1 1115 388 131 GLU H H 8.609 0.002 1 1116 388 131 GLU HA H 4.232 0.002 1 1117 388 131 GLU C C 176.530 0.052 1 1118 388 131 GLU CA C 56.688 0.017 1 1119 388 131 GLU CB C 30.403 0.024 1 1120 388 131 GLU CG C 36.343 0.100 1 1121 388 131 GLU N N 121.518 0.017 1 1122 389 132 GLN H H 8.475 0.001 1 1123 389 132 GLN HA H 4.359 0.002 1 1124 389 132 GLN HB2 H 2.082 0.001 2 1125 389 132 GLN HB3 H 1.987 0.006 2 1126 389 132 GLN HG2 H 2.348 0.002 2 1127 389 132 GLN C C 175.706 0.022 1 1128 389 132 GLN CA C 55.704 0.025 1 1129 389 132 GLN CB C 29.522 0.028 1 1130 389 132 GLN CG C 33.701 0.018 1 1131 389 132 GLN N N 122.528 0.020 1 1132 390 133 LYS H H 8.475 0.001 1 1133 390 133 LYS HA H 4.362 0.001 1 1134 390 133 LYS HB2 H 1.818 0.020 2 1135 390 133 LYS HB3 H 1.764 0.020 2 1136 390 133 LYS HG2 H 1.420 0.002 2 1137 390 133 LYS HD2 H 1.684 0.020 2 1138 390 133 LYS HE2 H 2.992 0.020 2 1139 390 133 LYS C C 176.569 0.100 1 1140 390 133 LYS CA C 56.099 0.020 1 1141 390 133 LYS CB C 33.345 0.036 1 1142 390 133 LYS CG C 24.618 0.041 1 1143 390 133 LYS CD C 29.030 0.100 1 1144 390 133 LYS CE C 41.891 0.100 1 1145 390 133 LYS N N 123.836 0.022 1 1146 391 134 GLU H H 8.580 0.001 1 1147 391 134 GLU HA H 4.281 0.001 1 1148 391 134 GLU HB2 H 2.054 0.005 2 1149 391 134 GLU HB3 H 1.958 0.011 2 1150 391 134 GLU HG2 H 2.276 0.006 2 1151 391 134 GLU C C 177.014 0.050 1 1152 391 134 GLU CA C 56.881 0.030 1 1153 391 134 GLU CB C 30.327 0.017 1 1154 391 134 GLU CG C 36.252 0.013 1 1155 391 134 GLU N N 122.812 0.012 1 1156 392 135 GLY H H 8.494 0.001 1 1157 392 135 GLY HA2 H 3.968 0.002 2 1158 392 135 GLY C C 173.882 0.009 1 1159 392 135 GLY CA C 45.309 0.027 1 1160 392 135 GLY N N 110.245 0.004 1 1161 393 136 ASP H H 8.273 0.001 1 1162 393 136 ASP HA H 4.679 0.002 1 1163 393 136 ASP HB2 H 2.725 0.002 2 1164 393 136 ASP HB3 H 2.640 0.003 2 1165 393 136 ASP C C 176.762 0.009 1 1166 393 136 ASP CA C 54.389 0.026 1 1167 393 136 ASP CB C 41.424 0.031 1 1168 393 136 ASP N N 120.742 0.007 1 1169 394 137 THR H H 8.185 0.001 1 1170 394 137 THR HA H 4.311 0.001 1 1171 394 137 THR HB H 4.260 0.003 1 1172 394 137 THR HG2 H 1.203 0.004 . 1173 394 137 THR C C 174.781 0.025 1 1174 394 137 THR CA C 62.032 0.025 1 1175 394 137 THR CB C 69.708 0.033 1 1176 394 137 THR CG2 C 21.672 0.056 1 1177 394 137 THR N N 114.672 0.004 1 1178 395 138 LYS H H 8.352 0.001 1 1179 395 138 LYS HA H 4.317 0.002 1 1180 395 138 LYS HB2 H 1.830 0.001 2 1181 395 138 LYS HB3 H 1.755 0.020 2 1182 395 138 LYS HG2 H 1.424 0.020 2 1183 395 138 LYS HE2 H 3.004 0.020 2 1184 395 138 LYS C C 176.322 0.100 1 1185 395 138 LYS CA C 56.396 0.046 1 1186 395 138 LYS CB C 32.973 0.044 1 1187 395 138 LYS CG C 24.670 0.100 1 1188 395 138 LYS N N 123.695 0.009 1 1189 396 139 ASP H H 8.364 0.002 1 1190 396 139 ASP HA H 4.547 0.002 1 1191 396 139 ASP HB2 H 2.683 0.020 2 1192 396 139 ASP HB3 H 2.585 0.020 2 1193 396 139 ASP C C 175.975 0.100 1 1194 396 139 ASP CA C 54.484 0.024 1 1195 396 139 ASP CB C 41.251 0.034 1 1196 396 139 ASP N N 121.619 0.074 1 1197 397 140 LYS H H 8.164 0.001 1 1198 397 140 LYS HA H 4.304 0.001 1 1199 397 140 LYS HB2 H 1.821 0.020 2 1200 397 140 LYS HG2 H 1.407 0.020 2 1201 397 140 LYS HD2 H 1.672 0.020 2 1202 397 140 LYS HE2 H 2.997 0.020 2 1203 397 140 LYS C C 176.406 0.006 1 1204 397 140 LYS CA C 56.311 0.011 1 1205 397 140 LYS CB C 33.088 0.030 1 1206 397 140 LYS CG C 24.603 0.100 1 1207 397 140 LYS CE C 41.793 0.100 1 1208 397 140 LYS N N 121.952 0.021 1 1209 398 141 LYS H H 8.468 0.002 1 1210 398 141 LYS HA H 4.316 0.003 1 1211 398 141 LYS HB2 H 1.824 0.020 2 1212 398 141 LYS HB3 H 1.756 0.020 2 1213 398 141 LYS HG2 H 1.418 0.020 2 1214 398 141 LYS HD2 H 1.657 0.020 2 1215 398 141 LYS HE2 H 2.994 0.020 2 1216 398 141 LYS CA C 56.280 0.044 1 1217 398 141 LYS CB C 33.162 0.053 1 1218 398 141 LYS CG C 24.626 0.100 1 1219 398 141 LYS CE C 41.519 0.100 1 1220 398 141 LYS N N 123.585 0.044 1 1221 399 142 ASP H H 8.431 0.002 1 1222 399 142 ASP HA H 4.568 0.001 1 1223 399 142 ASP HB2 H 2.722 0.004 2 1224 399 142 ASP HB3 H 2.593 0.020 2 1225 399 142 ASP C C 176.326 0.002 1 1226 399 142 ASP CA C 54.803 0.030 1 1227 399 142 ASP CB C 41.148 0.026 1 1228 399 142 ASP N N 121.902 0.022 1 1229 400 143 GLU H H 8.362 0.001 1 1230 400 143 GLU HA H 4.284 0.002 1 1231 400 143 GLU C C 176.515 0.100 1 1232 400 143 GLU CA C 56.668 0.001 1 1233 400 143 GLU CB C 30.377 0.100 1 1234 400 143 GLU N N 120.627 0.020 1 1235 401 144 GLU CA C 56.629 0.100 1 1236 401 144 GLU CB C 30.419 0.100 1 1237 401 144 GLU CG C 36.419 0.100 1 1238 402 145 GLU H H 8.378 0.002 1 1239 402 145 GLU HA H 4.253 0.004 1 1240 402 145 GLU HB2 H 2.020 0.001 2 1241 402 145 GLU HB3 H 1.941 0.001 2 1242 402 145 GLU HG2 H 2.257 0.020 2 1243 402 145 GLU CA C 56.699 0.050 1 1244 402 145 GLU CB C 30.555 0.059 1 1245 402 145 GLU CG C 36.298 0.014 1 1246 402 145 GLU N N 121.769 0.077 1 1247 403 146 ASP H H 8.444 0.002 1 1248 403 146 ASP HA H 4.582 0.001 1 1249 403 146 ASP HB2 H 2.743 0.020 2 1250 403 146 ASP HB3 H 2.609 0.001 2 1251 403 146 ASP C C 177.268 0.100 1 1252 403 146 ASP CA C 54.332 0.037 1 1253 403 146 ASP CB C 41.108 0.028 1 1254 403 146 ASP N N 121.855 0.009 1 1255 404 147 MET H H 8.359 0.001 1 1256 404 147 MET HA H 4.518 0.020 1 1257 404 147 MET HB2 H 2.128 0.001 2 1258 404 147 MET HB3 H 1.996 0.003 2 1259 404 147 MET HG2 H 2.606 0.020 2 1260 404 147 MET HG3 H 2.534 0.020 2 1261 404 147 MET C C 176.332 0.025 1 1262 404 147 MET CA C 55.425 0.034 1 1263 404 147 MET CB C 32.854 0.082 1 1264 404 147 MET CG C 31.953 0.023 1 1265 404 147 MET N N 121.978 0.013 1 1266 405 148 SER H H 8.440 0.001 1 1267 405 148 SER HA H 4.410 0.002 1 1268 405 148 SER HB2 H 3.883 0.001 2 1269 405 148 SER C C 174.558 0.018 1 1270 405 148 SER CA C 58.637 0.036 1 1271 405 148 SER CB C 63.753 0.021 1 1272 405 148 SER N N 117.528 0.005 1 1273 406 149 LEU H H 8.318 0.001 1 1274 406 149 LEU HA H 4.414 0.001 1 1275 406 149 LEU HB2 H 1.637 0.002 2 1276 406 149 LEU HG H 1.640 0.003 1 1277 406 149 LEU HD1 H 0.924 0.003 2 1278 406 149 LEU HD2 H 0.866 0.003 2 1279 406 149 LEU C C 176.400 0.026 1 1280 406 149 LEU CA C 55.041 0.043 1 1281 406 149 LEU CB C 42.437 0.053 1 1282 406 149 LEU CG C 26.910 0.052 1 1283 406 149 LEU CD1 C 24.998 0.042 2 1284 406 149 LEU CD2 C 23.390 0.048 2 1285 406 149 LEU N N 124.900 0.003 1 1286 407 150 ASP H H 7.869 0.020 1 1287 407 150 ASP HA H 4.358 0.001 1 1288 407 150 ASP HB2 H 2.656 0.007 2 1289 407 150 ASP HB3 H 2.541 0.004 2 1290 407 150 ASP C C 180.913 0.100 1 1291 407 150 ASP CA C 55.884 0.050 1 1292 407 150 ASP CB C 42.243 0.072 1 1293 407 150 ASP N N 126.096 0.004 1 stop_ save_